L806-3179 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-3179 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-3179 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-3179
N-[(2,4-difluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L806-3179

Molecular Formula

C22H17F2N5O (C22 H17 F2 N5 O)

Compound Name

N-[(2,4-difluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[(24-difluorophenyl)methyl]-1-(3-methylphenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1cccc(-n2nnc(C(NCc(ccc(F)c3)c3F)=O)c2-c2cnccc2)c1

InChI

InChI=1S/C22H17F2N5O/c1-14-4-2-6-18(10-14)29-21(16-5-3-9-25-12-16)20(27-28-29)22(30)26-13-15-7-8-17(23)11-19(15)24/h2-12H,13H2,1H3,(H,26,30)

InChI Key

YHWGNVJPOYLXIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.44

Polar Surface Area

59.771

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L806-3179 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with L806-3179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-3179?
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What is the minimum amount of L806-3179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-3179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-3179
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L806-3179 available by request